cp2k-6.1-1.fc29.i686.rpm


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Description

cp2k - Ab Initio Molecular Dynamics

Property Value
Distribution Fedora 29
Repository Fedora i386
Package filename cp2k-6.1-1.fc29.i686.rpm
Package name cp2k
Package version 6.1
Package release 1.fc29
Package architecture i686
Package type rpm
Homepage http://cp2k.org/
License GPLv2+
Maintainer -
Download size 17.24 MB
Installed size 67.65 MB
CP2K is a freely available (GPL) program, written in Fortran 95, to
perform atomistic and molecular simulations of solid state, liquid,
molecular and biological systems. It provides a general framework for
different methods such as e.g. density functional theory (DFT) using a
mixed Gaussian and plane waves approach (GPW), and classical pair and
many-body potentials.
CP2K does not implement Car-Parinello Molecular Dynamics (CPMD).
This package contains the non-MPI single process and multi-threaded versions.

Alternatives

Package Version Architecture Repository
cp2k-6.1-1.fc29.x86_64.rpm 6.1 x86_64 Fedora
cp2k - - -

Requires

Name Value
cp2k-common = 6.1-1.fc29
libc.so.6(GLIBC_2.4) -
libderiv-stable.so.1 -
libdl.so.2 -
libfftw3.so.3 -
libfftw3_omp.so.3 -
libgcc_s.so.1 -
libgcc_s.so.1(GCC_3.0) -
libgcc_s.so.1(GCC_3.3.1) -
libgcc_s.so.1(GCC_4.0.0) -
libgcc_s.so.1(GCC_7.0.0) -
libgcc_s.so.1(GLIBC_2.0) -
libgfortran.so.5 -
libgfortran.so.5(GFORTRAN_8) -
libint(api)(x86-32) = 0
libint-stable.so.1 -
libm.so.6 -
libm.so.6(GLIBC_2.0) -
libm.so.6(GLIBC_2.1) -
libopenblas.so.0 -
libpthread.so.0 -
libquadmath.so.0 -
libxc.so.5 -
libxcf03.so.5 -
rtld(GNU_HASH) -

Provides

Name Value
cp2k = 6.1-1.fc29
cp2k(x86-32) = 6.1-1.fc29

Download

Type URL
Mirror download-ib01.fedoraproject.org
Binary Package cp2k-6.1-1.fc29.i686.rpm
Source Package cp2k-6.1-1.fc29.src.rpm

Install Howto

Install cp2k rpm package:

# dnf --refresh install cp2k

Files

Path
/usr/bin/cp2k.sopt
/usr/bin/cp2k.ssmp
/usr/bin/cp2k_shell.sopt
/usr/bin/cp2k_shell.ssmp
/usr/lib/.build-id/
/usr/lib/.build-id/00/c378c91172abc8554faba5f2d5b95a7c162779
/usr/lib/.build-id/05/31f490e7dde46ea60ea4b6b6a129c562a7dea1
/usr/lib/.build-id/07/ba610942bc11e4ff70275f6fe59231406a504c
/usr/lib/.build-id/0b/193b0b041fb81906b62e67d3854035b5d4ea11
/usr/lib/.build-id/10/1115da2607cabcfd7ab6835ba8052032a9e641
/usr/lib/.build-id/12/04bc18baf571c836ab94281de7f9dc22e763a2
/usr/lib/.build-id/17/247b3ba30e0e47d5734f35c86dd1877b0a50c4
/usr/lib/.build-id/17/34373d56c48c4ee1ec9b75c12a478d43a019cb
/usr/lib/.build-id/19/2fae1791a24d3a44be294ba63e27a46e90c3d3
/usr/lib/.build-id/22/798e418b6a822fcdc8a9fc8e4383afb2a26298
/usr/lib/.build-id/22/8378a02fc8a694f325c68485526b9698a424f3
/usr/lib/.build-id/24/59b57e22e8707931bfb73fcbc53fdfeda53b4f
/usr/lib/.build-id/24/7f9a4b28023b12e0135d199b56398fb586b879
/usr/lib/.build-id/24/d78ca2929096d2fd12257f70b9c2c3b322ed13
/usr/lib/.build-id/2a/2ff2ad4d021019ff5c26d5fd7b485978042cbc
/usr/lib/.build-id/2c/835914fda09501c6faf31a19890c145f07a22d
/usr/lib/.build-id/30/128e6bb892fa2fc579b477e8390fd9a2279634
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/usr/lib/.build-id/e8/497902bd24b14f61c0f0a1da50b129bd60da7d
/usr/lib/.build-id/f2/5d1ba5b41aa8d5a03e81e6faffa9bb5bc42cf0
/usr/lib/.build-id/f3/c4836d03c7a8f39f725346dbb7bd9efadd776b
/usr/lib/.build-id/f4/6e5819b5d9beec366fb40df4f6c72c5d9bf5b3
/usr/lib/.build-id/f6/07cdd18088b424573d99f9df8f092d2794ee3c
/usr/lib/.build-id/f8/c34386ee9eb61e4b386604d04633c6fa5fe76c
/usr/lib/.build-id/f8/f9a26201651a139860b5de842d36936b57805a
/usr/lib/.build-id/f9/52df5d3b45ed70fe0f81bc859f2ea2a0fdfb79
/usr/lib/.build-id/fa/5bc6bb1f67a1c1fa1729ae4c75b732b62e62e3
/usr/lib/.build-id/fd/3c43dc3cbfefa39f9c3c0c61e247fae8f6e2a1
/usr/lib/.build-id/fd/a2344d523eec29b972be8a6fdeaae4168e1e51
/usr/lib/.build-id/fd/c7eadf94bc9ddaa5b54a46eb29d1da649b6308
/usr/lib/cp2k/libclsmm.sopt.so
/usr/lib/cp2k/libclsmm.ssmp.so
/usr/lib/cp2k/libcp2kacc.sopt.so
/usr/lib/cp2k/libcp2kacc.ssmp.so
/usr/lib/cp2k/libcp2kaccmic.sopt.so
/usr/lib/cp2k/libcp2kaccmic.ssmp.so
/usr/lib/cp2k/libcp2kaccopencl.sopt.so
/usr/lib/cp2k/libcp2kaccopencl.ssmp.so
/usr/lib/cp2k/libcp2kao.sopt.so
/usr/lib/cp2k/libcp2kao.ssmp.so
/usr/lib/cp2k/libcp2kbase.sopt.so
/usr/lib/cp2k/libcp2kbase.ssmp.so
/usr/lib/cp2k/libcp2kcommon.sopt.so
/usr/lib/cp2k/libcp2kcommon.ssmp.so
/usr/lib/cp2k/libcp2kdbcsr_tensor.sopt.so
/usr/lib/cp2k/libcp2kdbcsr_tensor.ssmp.so
/usr/lib/cp2k/libcp2kemd.sopt.so
/usr/lib/cp2k/libcp2kemd.ssmp.so
/usr/lib/cp2k/libcp2keri_mme.sopt.so
/usr/lib/cp2k/libcp2keri_mme.ssmp.so
/usr/lib/cp2k/libcp2kfft.sopt.so
/usr/lib/cp2k/libcp2kfft.ssmp.so
/usr/lib/cp2k/libcp2kfm.sopt.so
/usr/lib/cp2k/libcp2kfm.ssmp.so
/usr/lib/cp2k/libcp2kgrid.sopt.so
/usr/lib/cp2k/libcp2kgrid.ssmp.so
/usr/lib/cp2k/libcp2khfxbase.sopt.so
/usr/lib/cp2k/libcp2khfxbase.ssmp.so
/usr/lib/cp2k/libcp2kinput.sopt.so
/usr/lib/cp2k/libcp2kinput.ssmp.so
/usr/lib/cp2k/libcp2kmain.sopt.so
/usr/lib/cp2k/libcp2kmain.ssmp.so
/usr/lib/cp2k/libcp2kmc.sopt.so
/usr/lib/cp2k/libcp2kmc.ssmp.so
/usr/lib/cp2k/libcp2kmetadyn_tools.sopt.so
/usr/lib/cp2k/libcp2kmetadyn_tools.ssmp.so
/usr/lib/cp2k/libcp2kminimax.sopt.so
/usr/lib/cp2k/libcp2kminimax.ssmp.so
/usr/lib/cp2k/libcp2kmotion.sopt.so
/usr/lib/cp2k/libcp2kmotion.ssmp.so
/usr/lib/cp2k/libcp2kmpiwrap.sopt.so
/usr/lib/cp2k/libcp2kmpiwrap.ssmp.so
/usr/lib/cp2k/libcp2kpw.sopt.so
/usr/lib/cp2k/libcp2kpw.ssmp.so
/usr/lib/cp2k/libcp2kshg_int.sopt.so
/usr/lib/cp2k/libcp2kshg_int.ssmp.so
/usr/lib/cp2k/libcp2kstart.sopt.so
/usr/lib/cp2k/libcp2kstart.ssmp.so
/usr/lib/cp2k/libcp2ksubsys.sopt.so
/usr/lib/cp2k/libcp2ksubsys.ssmp.so
/usr/lib/cp2k/libcp2kswarm.sopt.so
/usr/lib/cp2k/libcp2kswarm.ssmp.so
/usr/lib/cp2k/libcp2kthermostat.sopt.so
/usr/lib/cp2k/libcp2kthermostat.ssmp.so
/usr/lib/cp2k/libcp2ktmc.sopt.so
/usr/lib/cp2k/libcp2ktmc.ssmp.so
/usr/lib/cp2k/libcp2kxc.sopt.so
/usr/lib/cp2k/libcp2kxc.ssmp.so
/usr/lib/cp2k/libdbcsr.sopt.so
/usr/lib/cp2k/libdbcsr.ssmp.so
/usr/lib/cp2k/libdbcsrarnoldi.sopt.so
/usr/lib/cp2k/libdbcsrarnoldi.ssmp.so
/usr/lib/cp2k/libdbcsrbase.sopt.so
/usr/lib/cp2k/libdbcsrbase.ssmp.so
/usr/lib/cp2k/libdbcsrbblock.sopt.so
/usr/lib/cp2k/libdbcsrbblock.ssmp.so
/usr/lib/cp2k/libdbcsrbdist.sopt.so
/usr/lib/cp2k/libdbcsrbdist.ssmp.so
/usr/lib/cp2k/libdbcsrdata.sopt.so
/usr/lib/cp2k/libdbcsrdata.ssmp.so
/usr/lib/cp2k/libdbcsrmm.sopt.so
/usr/lib/cp2k/libdbcsrmm.ssmp.so
/usr/lib/cp2k/libdbcsrops.sopt.so
/usr/lib/cp2k/libdbcsrops.ssmp.so
/usr/lib/cp2k/libdbcsrx.sopt.so
/usr/lib/cp2k/libdbcsrx.ssmp.so
/usr/lib/cp2k/libmicsmm.sopt.so
/usr/lib/cp2k/libmicsmm.ssmp.so

Changelog

2018-07-16 - Dominik Mierzejewski <rpm@greysector.net> - 6.1-1
- update to 6.1
- drop obsolete patches
- openblas is available on all supported arches, drop conditional atlas support
2018-07-12 - Fedora Release Engineering <releng@fedoraproject.org> - 5.1-5
- Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild
2018-05-22 - Dominik Mierzejewski <rpm@greysector.net> - 5.1-4
- rebuild against libxsmm-1.8.3-1 which changed SONAME (#1577497)
2018-02-07 - Dominik Mierzejewski <rpm@greysector.net> - 5.1-3
- use upstream patch for libxc-4.x support
- reorder and adjust patches
- unbundle fypp
- use python3 in build scripts
2018-02-07 - Fedora Release Engineering <releng@fedoraproject.org> - 5.1-2
- Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild
2018-01-17 - Dominik Mierzejewski <rpm@greysector.net> - 5.1-1
- update to 5.1
- conditionalize testing and disable by default as they take too long
- test all flavors, not just OpenMPI ssmp
- fix compilation on 32bit architectures
2017-10-23 - Susi Lehtola <susi.lehtola@iki.fi> - 4.1-5
- Rebuild against libxc 4.
2017-08-02 - Fedora Release Engineering <releng@fedoraproject.org> - 4.1-4
- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild
2017-07-26 - Fedora Release Engineering <releng@fedoraproject.org> - 4.1-3
- Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild
2017-06-17 - Dominik Mierzejewski <rpm@greysector.net> - 4.1-2
- build with libxsmm on x86_64 for improved matrix multiplication performance
- simplify some loops
- drop support for old blacs (even EL6 has scalapack with blacs now)

See Also

Package Description
cp2k-common-6.1-1.fc29.i686.rpm Molecular simulations software - common files
cp2k-mpich-6.1-1.fc29.i686.rpm Molecular simulations software - mpich version
cp2k-openmpi-6.1-1.fc29.i686.rpm Molecular simulations software - openmpi version
cpanspec-1.78-32.fc29.noarch.rpm RPM spec file generation utility
cpdup-1.18-5.fc29.i686.rpm Filesystem mirroring utility
cpio-2.12-9.fc29.i686.rpm A GNU archiving program
cpipe-3.0.1-20.fc29.i686.rpm Counting pipe
cpl-7.0-9.fc29.i686.rpm ESO library for automated astronomical data-reduction tasks
cpl-devel-7.0-9.fc29.i686.rpm Libraries, includes, etc. used to develop an application with cpl
cpmtools-2.20-7.fc29.i686.rpm Programs for accessing CP/M disks
cpp-8.2.1-2.fc29.i686.rpm The C Preprocessor
cpp-hocon-0.1.6-8.fc29.i686.rpm The library provides C++ support for the HOCON configuration file format
cpp-hocon-devel-0.1.6-8.fc29.i686.rpm Development files for the cpp-hocon library
cpp_demangle-0.2.10-1.fc29.i686.rpm c++filt clone in Rust
cppad-devel-20180000.0-3.fc29.i686.rpm The cppad C++ include files for Algorithmic Differentiation (AD)
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